6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile

C20H18N6O — CID 126926090

IUPAC6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCC2Cn2nc(-c3ccncc3)ccc2=O)nc1
InChIInChI=1S/C20H18N6O/c21-12-15-3-5-19(23-13-15)25-11-1-2-17(25)14-26-20(27)6-4-18(24-26)16-7-9-22-10-8-16/h3-10,13,17H,1-2,11,14H2
InChIKeyWAETWLKFCNVEJI-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.24
Rot. Bonds4

About 6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile

6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 126926090) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID126926090
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCC2Cn2nc(-c3ccncc3)ccc2=O)nc1
InChIInChI=1S/C20H18N6O/c21-12-15-3-5-19(23-13-15)25-11-1-2-17(25)14-26-20(27)6-4-18(24-26)16-7-9-22-10-8-16/h3-10,13,17H,1-2,11,14H2
InChIKeyWAETWLKFCNVEJI-UHFFFAOYSA-N
XLogP2.24
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 126926126
6-pyridin-4-yl-2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126926091
2-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926318
6-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 95305714
2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926154
6-pyridin-4-yl-2-[[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926308
2-[[1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925964
6-pyridin-4-yl-2-[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926087
6-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 95308098
2-[[1-(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926357
6-pyridin-4-yl-2-[[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926229
6-pyridin-4-yl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926251

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile (CID 126926090) is 6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCCC2Cn2nc(-c3ccncc3)ccc2=O)nc1.
What is the InChIKey of 6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is WAETWLKFCNVEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c21-12-15-3-5-19(23-13-15)25-11-1-2-17(25)14-26-20(27)6-4-18(24-26)16-7-9-22-10-8-16/h3-10,13,17H,1-2,11,14H2.
What are the key properties of 6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 358.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 126926090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).